YX1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.43Å	1.45Å
C3	C4	sing	1.53Å	1.55Å
C3	C2	sing	1.53Å	1.55Å
C4	O4	sing	1.43Å	1.44Å
C4	C5	sing	1.53Å	1.55Å
C5	C6	sing	1.53Å	1.56Å
C5	O5	sing	1.43Å	1.46Å
C6	O6	sing	1.43Å	1.44Å
O5	C1	sing	1.43Å	1.48Å
C1	O1	sing	1.43Å	1.43Å
C1	C2	sing	1.53Å	1.57Å
C2	N2	sing	1.47Å	1.49Å
N2	CAM	sing	1.35Å	1.34Å
CAM	OAG	doub	1.22Å	1.23Å
CAM	NAN	sing	1.35Å	1.36Å
NAN	CAH	sing	1.46Å	1.46Å
NAN	NAO	sing	1.37Å	1.37Å
NAO	OAP	sing	1.46Å	1.41Å
O3	HO3	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
N2	HD	sing	0.97Å	1.00Å
CAH	HAH1	sing	1.09Å	1.10Å
CAH	HAH2	sing	1.09Å	1.10Å
CAH	HAH3	sing	1.09Å	1.10Å
NAO	HAO	sing	1.01Å	1.00Å
OAP	HAP	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C3	C4	108.3°	109.5°
O3	C3	C2	109.0°	109.5°
C3	O3	HO3	109.5°	114.0°
O3	C3	H3	110.8°	109.6°
C4	C3	C2	110.1°	109.0°
C3	C4	O4	110.0°	109.5°
C3	C4	C5	110.7°	109.2°
C4	C3	H3	109.6°	109.6°
C3	C4	H4	109.0°	109.6°
C3	C2	C1	112.9°	109.1°
C3	C2	N2	111.7°	109.5°
C2	C3	H3	109.0°	109.6°
C3	C2	H2	106.7°	109.6°
O4	C4	C5	111.6°	109.5°
O4	C4	H4	108.1°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C5	C6	118.1°	109.5°
C4	C5	O5	106.4°	109.4°
C5	C4	H4	107.4°	109.6°
C4	C5	H5	104.9°	109.5°
C6	C5	O5	106.8°	109.5°
C5	C6	O6	107.2°	109.5°
C6	C5	H5	104.6°	109.5°
C5	C6	H61	110.2°	109.5°
C5	C6	H62	110.7°	109.5°
C5	O5	C1	113.6°	114.1°
O5	C5	H5	116.6°	109.5°
O6	C6	H61	110.2°	109.5°
O6	C6	H62	110.7°	109.4°
C6	O6	HO6	109.5°	114.0°
O5	C1	O1	106.9°	109.5°
O5	C1	C2	111.7°	109.4°
O5	C1	H1	110.0°	109.5°
O1	C1	C2	110.3°	109.4°
O1	C1	H1	111.4°	109.5°
C1	O1	HO1	109.5°	113.9°
C1	C2	N2	112.9°	109.5°
C1	C2	H2	105.3°	109.6°
C2	C1	H1	106.6°	109.5°
C2	N2	CAM	125.4°	120.0°
N2	C2	H2	106.7°	109.5°
C2	N2	HD	117.3°	120.0°
N2	CAM	OAG	121.1°	120.0°
N2	CAM	NAN	115.4°	120.0°
CAM	N2	HD	117.3°	120.0°
OAG	CAM	NAN	123.5°	120.0°
CAM	NAN	CAH	119.7°	120.0°
CAM	NAN	NAO	120.3°	120.0°
CAH	NAN	NAO	120.0°	120.0°
NAN	CAH	HAH1	109.5°	109.5°
NAN	CAH	HAH2	109.5°	109.5°
NAN	CAH	HAH3	109.4°	109.5°
NAN	NAO	OAP	109.2°	111.0°
NAN	NAO	HAO	109.6°	111.0°
OAP	NAO	HAO	109.6°	111.0°
NAO	OAP	HAP	109.5°	114.0°
H61	C6	H62	107.7°	109.5°
HAH1	CAH	HAH2	109.5°	109.5°
HAH1	CAH	HAH3	109.5°	109.5°
HAH2	CAH	HAH3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C4	C2	119.1°	119.8°
O3	C3	C4	H3	121.0°	120.2°
O3	C3	C2	H3	121.0°	120.2°
O3	C3	C4	O4	60.9°	63.3°
O3	C3	C4	C5	175.3°	176.9°
O3	C3	C2	C1	165.1°	176.9°
O3	C3	C2	N2	66.4°	63.3°
O3	C3	C4	H4	57.4°	56.8°
O3	C3	C2	H2	49.9°	56.9°
C4	C3	C2	H3	120.3°	120.0°
C3	C4	O4	C5	123.3°	119.6°
C3	C4	O4	H4	118.9°	120.2°
C3	C4	C5	H4	118.9°	120.0°
C3	C4	C5	C6	176.1°	177.6°
C3	C4	C5	O5	64.0°	57.7°
C4	C3	C2	C1	46.4°	57.0°
C4	C3	C2	N2	174.9°	176.9°
C4	C3	O3	HO3	88.5°	60.0°
C4	C3	C2	H2	68.8°	62.9°
C3	C4	O4	HO4	2.6°	180.0°
C3	C4	C5	H5	60.1°	62.3°
C2	C3	C4	O4	180.0°	176.9°
C2	C3	C4	C5	56.2°	57.1°
C3	C2	C1	O5	45.7°	57.6°
C3	C2	C1	O1	164.4°	177.6°
C3	C2	C1	N2	127.8°	119.9°
C3	C2	C1	H2	116.1°	120.0°
C3	C2	N2	H2	116.3°	120.2°
C3	C2	N2	CAM	73.6°	155.0°
C2	C3	O3	HO3	151.7°	179.5°
C2	C3	C4	H4	61.7°	63.0°
C3	C2	C1	H1	74.5°	62.4°
C3	C2	N2	HD	106.4°	25.0°
O4	C4	C5	H4	118.2°	120.2°
O4	C4	C5	C6	53.2°	62.5°
O4	C4	C5	O5	173.1°	177.5°
O4	C4	C3	H3	60.1°	56.9°
O4	C4	C5	H5	62.7°	57.5°
C4	C5	C6	O5	119.7°	119.9°
C4	C5	C6	H5	116.1°	120.1°
C4	C5	O5	H5	116.6°	120.0°
C4	C5	C6	O6	60.0°	175.0°
C4	C5	O5	C1	64.4°	61.2°
C5	C4	C3	H3	63.7°	62.9°
C5	C4	O4	HO4	120.7°	60.4°
C4	C5	C6	H61	179.9°	55.0°
C4	C5	C6	H62	60.8°	65.0°
C6	C5	O5	H5	116.4°	120.0°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.9°	120.0°
C6	C5	O5	C1	168.5°	178.8°
C6	C5	C4	H4	65.1°	57.6°
C5	C6	H61	H62	120.9°	120.0°
C5	C6	O6	HO6	87.3°	180.0°
O5	C5	C6	O6	59.7°	65.0°
C5	O5	C1	O1	177.0°	178.9°
C5	O5	C1	C2	56.2°	61.2°
O5	C5	C4	H4	54.8°	62.3°
O5	C5	C6	H61	60.3°	175.0°
O5	C5	C6	H62	179.4°	54.9°
C5	O5	C1	H1	61.9°	58.9°
O6	C6	C5	H5	176.1°	54.9°
O6	C6	H61	H62	120.9°	120.0°
O5	C1	O1	C2	121.6°	119.9°
O5	C1	O1	H1	120.2°	120.1°
O5	C1	C2	H1	120.2°	120.0°
O5	C1	C2	N2	173.6°	177.5°
O5	C1	C2	H2	70.4°	62.3°
C1	O5	C5	H5	52.1°	58.8°
O5	C1	O1	HO1	4.3°	60.1°
O1	C1	C2	H1	121.1°	120.0°
O1	C1	C2	N2	67.7°	62.5°
O1	C1	C2	H2	48.3°	57.6°
C1	C2	N2	H2	115.2°	120.2°
C1	C2	N2	CAM	54.9°	85.4°
C1	C2	C3	H3	73.9°	62.9°
C2	C1	O1	HO1	125.9°	180.0°
C1	C2	N2	HD	125.1°	94.7°
C2	N2	CAM	HD	180.0°	180.0°
C2	N2	CAM	OAG	0.6°	0.1°
C2	N2	CAM	NAN	179.4°	180.0°
N2	C2	C3	H3	54.6°	57.0°
N2	C2	C1	H1	53.4°	57.5°
N2	CAM	OAG	NAN	178.8°	179.9°
N2	CAM	NAN	CAH	179.3°	180.0°
N2	CAM	NAN	NAO	0.2°	0.1°
CAM	N2	C2	H2	170.1°	34.8°
OAG	CAM	NAN	CAH	0.5°	0.1°
OAG	CAM	NAN	NAO	179.0°	180.0°
OAG	CAM	N2	HD	179.4°	180.0°
CAM	NAN	CAH	NAO	179.5°	180.0°
CAM	NAN	NAO	OAP	141.9°	90.0°
NAN	CAM	N2	HD	0.6°	0.0°
CAM	NAN	CAH	HAH1	96.6°	90.0°
CAM	NAN	CAH	HAH2	143.4°	150.0°
CAM	NAN	CAH	HAH3	23.4°	30.0°
CAM	NAN	NAO	HAO	98.1°	146.0°
CAH	NAN	NAO	OAP	38.6°	90.0°
NAN	CAH	HAH1	HAH2	120.0°	120.0°
NAN	CAH	HAH1	HAH3	119.9°	120.0°
NAN	CAH	HAH2	HAH3	120.0°	120.0°
CAH	NAN	NAO	HAO	81.4°	34.0°
NAN	NAO	OAP	HAO	120.0°	124.0°
NAO	NAN	CAH	HAH1	82.9°	90.0°
NAO	NAN	CAH	HAH2	37.1°	30.0°
NAO	NAN	CAH	HAH3	157.1°	150.0°
NAN	NAO	OAP	HAP	126.5°	180.0°
HO3	O3	C3	H3	31.8°	60.2°
H3	C3	C4	H4	178.4°	177.0°
H3	C3	C2	H2	170.9°	177.1°
H4	C4	O4	HO4	121.5°	59.8°
H4	C4	C5	H5	179.0°	177.7°
H2	C2	C1	H1	169.4°	177.6°
H2	C2	N2	HD	9.9°	145.1°
H5	C5	C6	H61	63.8°	65.0°
H5	C5	C6	H62	55.3°	174.9°
H61	C6	O6	HO6	152.7°	60.0°
H62	C6	O6	HO6	33.6°	60.0°
H1	C1	O1	HO1	116.0°	60.0°
HAH1	CAH	HAH2	HAH3	120.0°	120.0°
HAO	NAO	OAP	HAP	6.5°	56.1°

Definition date:	2008-05-29
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	2VUR